SCHEMBL10243968

SCHEMBL10243968

COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 2/20 0.53
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 1/20 0.49
QDPR P09417 2/20 0.45
CXCL12 P48061 1/20 0.44
MEN1 O00255 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR2 O15552 2/20 0.43
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
ROCK2 O75116 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17350518 1.00 TRPV6 (0.53) TRPV6KMT2ACYP2D6QDPRCXCL12
SCHEMBL10243812 0.91 ALDH1A1 (0.52) TRPV6KMT2ACYP2D6MEN1FFAR2
SCHEMBL17350726 0.91 ALDH1A1 (0.52) TRPV6KMT2ACYP2D6MEN1FFAR2
SCHEMBL17350665 0.89 FFAR2 (0.42) TRPV6FFAR2SLC18A3SIGMAR1ALDH1A1
SCHEMBL10244183 0.89 FFAR2 (0.42) TRPV6FFAR2SLC18A3SIGMAR1ALDH1A1
SCHEMBL10244044 0.87 FFAR2 (0.43) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL17350636 0.87 FFAR2 (0.43) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL10243919 0.86 PKM (0.48) KMT2AFFAR2ALDH1A1KDM4EHTT
SCHEMBL17350675 0.86 PKM (0.48) KMT2AFFAR2ALDH1A1KDM4EHTT
SCHEMBL17350650 0.86 DRD2 (0.44) KMT2ARAB9AFFAR2SLC18A3SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 TRPV6 4556/4885KMT2A 2551/4885CYP2D6 86/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.